Inorganic Solid Phases

(Ca0.63Mn0.20Na0.17)2(K0.630.37)2KZn3[Si12O30] (K2.26Na0.34Ca1.3Zn3Mn0.4Si12O30) Crystal Structure

General Information

  • Phase Label(s): K2.26Na0.34Ca1.3Zn3Mn0.4Si12O30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): shibkovite
  • Pearson Symbol: hP100
  • Space Group: 192
  • Phase Prototype: KNa0.1Ca2(Be0.7Al0.3)3Si12O30[H2O]0.9
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 356 reflections; I > 1.96σ(I), R = 0.0249
  • Sample Detail(s): shibkovite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; 61.00 wt.% SiO2, 0.05 wt.% Al2O3, 0.13 wt.% FeO, 5.99 wt.% CaO, 0.98 wt.% Na2O, 8.96 wt.% K2O, 2.41 wt.% MnO, 20.96 wt.% ZnO, single crystal (determination of cell parameters), single crystal, 0.01×0.02×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K2.26Na0.34Ca1.3Zn3Mn0.4Si12O30
  • Alphabetic Formula: Ca1.3K2.26Mn0.4Na0.34O30Si12Zn3
  • Published Formula: (Ca0.63Mn0.20Na0.17)2(K0.630.37)2KZn3[Si12O30]
  • Refined Formula: Ca1.26K2.26Mn0.40Na0.34O30Si12Zn3
  • Wyckoff Sequence: 192,m3lfdca
  • Z Formula Units: 2
  • Density: ρ = 2.90 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217247

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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